5-amino-N-[4-bromo-2-(trifluoromethoxy)phenyl]-1,3,4-thiadiazole-2-carboxamide

C10H6BrF3N4O2S — CID 103193605

IUPAC5-amino-N-[4-bromo-2-(trifluoromethoxy)phenyl]-1,3,4-thiadiazole-2-carboxamide
SMILESNc1nnc(C(=O)Nc2ccc(Br)cc2OC(F)(F)F)s1
InChIInChI=1S/C10H6BrF3N4O2S/c11-4-1-2-5(6(3-4)20-10(12,13)14)16-7(19)8-17-18-9(15)21-8/h1-3H,(H2,15,18)(H,16,19)
InChIKeyVYYPVCDDIAEDAD-UHFFFAOYSA-N
MW383.15 g/mol
LogP3.03
Rot. Bonds3

About 5-amino-N-[4-bromo-2-(trifluoromethoxy)phenyl]-1,3,4-thiadiazole-2-carboxamide

5-amino-N-[4-bromo-2-(trifluoromethoxy)phenyl]-1,3,4-thiadiazole-2-carboxamide (PubChem CID 103193605) has the molecular formula C10H6BrF3N4O2S and a molecular weight of 383.15 g/mol. Its IUPAC name is 5-amino-N-[4-bromo-2-(trifluoromethoxy)phenyl]-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound Name5-amino-N-[4-bromo-2-(trifluoromethoxy)phenyl]-1,3,4-thiadiazole-2-carboxamide
PubChem CID103193605
Molecular FormulaC10H6BrF3N4O2S
Molecular Weight383.15 g/mol
Exact Mass381.93
IUPAC Name5-amino-N-[4-bromo-2-(trifluoromethoxy)phenyl]-1,3,4-thiadiazole-2-carboxamide
SMILESNc1nnc(C(=O)Nc2ccc(Br)cc2OC(F)(F)F)s1
InChIInChI=1S/C10H6BrF3N4O2S/c11-4-1-2-5(6(3-4)20-10(12,13)14)16-7(19)8-17-18-9(15)21-8/h1-3H,(H2,15,18)(H,16,19)
InChIKeyVYYPVCDDIAEDAD-UHFFFAOYSA-N
XLogP3.03
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.15
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[4-bromo-2-(trifluoromethoxy)phenyl]-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of 5-amino-N-[4-bromo-2-(trifluoromethoxy)phenyl]-1,3,4-thiadiazole-2-carboxamide (CID 103193605) is 5-amino-N-[4-bromo-2-(trifluoromethoxy)phenyl]-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for 5-amino-N-[4-bromo-2-(trifluoromethoxy)phenyl]-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for 5-amino-N-[4-bromo-2-(trifluoromethoxy)phenyl]-1,3,4-thiadiazole-2-carboxamide is Nc1nnc(C(=O)Nc2ccc(Br)cc2OC(F)(F)F)s1.
What is the InChIKey of 5-amino-N-[4-bromo-2-(trifluoromethoxy)phenyl]-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is VYYPVCDDIAEDAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrF3N4O2S/c11-4-1-2-5(6(3-4)20-10(12,13)14)16-7(19)8-17-18-9(15)21-8/h1-3H,(H2,15,18)(H,16,19).
What are the key properties of 5-amino-N-[4-bromo-2-(trifluoromethoxy)phenyl]-1,3,4-thiadiazole-2-carboxamide?
5-amino-N-[4-bromo-2-(trifluoromethoxy)phenyl]-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 383.15 g/mol, XLogP of 3.03, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[4-bromo-2-(trifluoromethoxy)phenyl]-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 103193605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).